2-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide

C18H21ClN2OS — CID 112841277

IUPAC2-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
SMILESCc1ccsc1CNC(=O)CNC(c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C18H21ClN2OS/c1-12-8-9-23-16(12)10-20-17(22)11-21-18(13-2-3-13)14-4-6-15(19)7-5-14/h4-9,13,18,21H,2-3,10-11H2,1H3,(H,20,22)
InChIKeyVMQDDXINZBANNA-UHFFFAOYSA-N
MW348.90 g/mol
LogP4.07
Rot. Bonds7

About 2-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide

2-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide (PubChem CID 112841277) has the molecular formula C18H21ClN2OS and a molecular weight of 348.90 g/mol. Its IUPAC name is 2-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
PubChem CID112841277
Molecular FormulaC18H21ClN2OS
Molecular Weight348.90 g/mol
Exact Mass348.11
IUPAC Name2-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
SMILESCc1ccsc1CNC(=O)CNC(c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C18H21ClN2OS/c1-12-8-9-23-16(12)10-20-17(22)11-21-18(13-2-3-13)14-4-6-15(19)7-5-14/h4-9,13,18,21H,2-3,10-11H2,1H3,(H,20,22)
InChIKeyVMQDDXINZBANNA-UHFFFAOYSA-N
XLogP4.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.90
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide?
The IUPAC name of 2-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide (CID 112841277) is 2-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide?
The canonical SMILES for 2-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide is Cc1ccsc1CNC(=O)CNC(c1ccc(Cl)cc1)C1CC1.
What is the InChIKey of 2-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide?
The InChIKey is VMQDDXINZBANNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2OS/c1-12-8-9-23-16(12)10-20-17(22)11-21-18(13-2-3-13)14-4-6-15(19)7-5-14/h4-9,13,18,21H,2-3,10-11H2,1H3,(H,20,22).
What are the key properties of 2-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide?
2-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide has a molecular weight of 348.90 g/mol, XLogP of 4.07, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide is sourced from PubChem (CID 112841277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).